1SCZ

Improved structural model for the catalytic domain of E.coli dihydrolipoamide succinyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-25
Detector	MARRESEARCH
Wavelength(s)	0.99997
Spacegroup name	F 4 3 2
Unit cell lengths	220.576, 220.576, 220.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.890 - 2.200
R-factor	0.214
Rwork	0.211
R-free	0.23400
Structure solution method	SIRAS
Starting model (for MR)	starting model was a model built by Resolve and Arp_Warp using phases obtained from an iodide derivative
RMSD bond length	0.006
RMSD bond angle	1.200
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.098	0.300
Number of reflections	23922
<I/σ(I)>	7.2
Completeness [%]	100.0	100
Redundancy	43.1	43

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	5% PEG 4000,0.05M Hepes, 0.2M Ammonium acetate, 0.15M Magnesium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K